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CHEBI:180897 - CDP-DG(18:2(9Z,11Z)/i-16:0)

ChEBI IDCHEBI:180897
ChEBI NameCDP-DG(18:2(9Z,11Z)/i-16:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H81N3O15P2
Net Charge0
Average Mass978.108
Monoisotopic Mass977.51429
SMILESCCCCCC/C=C\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(O)[C@H]1O)OC(=O)CCCCCCCCCCCCC(C)C
InChIInChI=1S/C46H81N3O15P2/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24-27-30-41(50)59-34-38(62-42(51)31-28-25-22-19-16-15-17-20-23-26-29-37(2)3)35-60-65(55,56)64-66(57,58)61-36-39-43(52)44(53)45(63-39)49-33-32-40(47)48-46(49)54/h9-12,32-33,37-39,43-45,52-53H,4-8,13-31,34-36H2,1-3H3,(H,55,56)(H,57,58)(H2,47,48,54)/b10-9-,12-11-/t38-,39-,43+,44?,45-/m1/s1
InChIKeyNAZURFBZHFEJNY-IINMTLQDSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
CDP-DG(18:2(9Z,11Z)/i-16:0) (CHEBI:180897) is a CDP-diacylglycerol (CHEBI:17962)
IUPAC Name 
[(2R)-3-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-(14-methylpentadecanoyloxy)propyl] (9Z,11Z)-octadeca-9,11-dienoate
Manual XrefsDatabases
74877793ChemSpider
HMDB0116056HMDB